⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10705235 | 1.00 | — | — | |
| SCHEMBL10701920 | 1.00 | — | — | |
| SCHEMBL10705248 | 1.00 | — | — | |
| SCHEMBL10702101 | 0.92 | — | — | |
| SCHEMBL10702095 | 0.92 | — | — | |
| SCHEMBL10702106 | 0.92 | — | — | |
| SCHEMBL10702097 | 0.92 | — | — | |
| SCHEMBL10701734 | 0.90 | — | — | |
| SCHEMBL10701738 | 0.90 | — | — | |
| SCHEMBL10701731 | 0.90 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0107825-B1 | 1,3,4,6,7,11B-HEXAHYDRO-7-ARYL-2H-PYRAZINO (2,1-ALPHA) ISOQUINOLINES USEFUL AS INTERMEDIATES AND PHARMACEUTICAL COMPOUNDS AND METHODS OF PREPARATION | PENNWALT CORPORATION (US) | 1988-03-02 | — | — | EP | disclosed |
| US-4517187-A | 1,3,4,6,7-11b-Hexahydro-7-phenyl-2H-pyrazino[2,1-a]isoquinolines methods of preparation, and use as antidepressants | PENNWALT CORPORATION (US) | 1985-05-14 | — | — | US | disclosed |
| EP-0107825-A1 | 1,3,4,6,7,11b-Hexahydro-7-aryl-2H-pyrazino (2,1-alpha) isoquinolines useful as intermediates and pharmaceutical compounds and methods of preparation | PENNWALT CORPORATION (US) | 1984-05-09 | — | — | EP | disclosed |